CAS 129389-67-9

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 21 Related Intermediates

3 Suppliers
3 End Use APIs
21 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: D-ritalinic acid, 129389-67-9, Ritalinic acid, d-threo-, Threo-ritalinic acid, d-, (+)-threo-ritalinic acid, 2mnc5y0imu

Molecular Formula

C₁₃H₁₇NO₂

Molecular Weight

219.28 g/mol

InChI Key

INGSNVSERUZOAK-VXGBXAGGSA-N

FDA UNII

GT4165RS9H

1 2D Structure

CAS 129389-67-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid

2.1.2 InChI

InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1

2.1.3 InChI Key

INGSNVSERUZOAK-VXGBXAGGSA-N

2.1.4 Canonical SMILES

C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O

2.1.5 Isomeric SMILES

C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

GT4165RS9H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Alpha-phenyl-2-piperidineacetic Acid

2. Ritalinic Acid

3. Ritalinic Acid, (r*,r*)-(+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. D-ritalinic Acid

2. 129389-67-9

3. Ritalinic Acid, D-threo-

4. Threo-ritalinic Acid, D-

5. (+)-threo-ritalinic Acid

6. 2mnc5y0imu

7. Dl-threo-ritalinic Acid

8. Gt4165rs9h

9. (2r)-2-phenyl-2-[(2r)-piperidin-2-yl]acetic Acid

10. 54631-24-2

11. Unii-2mnc5y0imu

12. Unii-gt4165rs9h

13. D-threo Ritalinic Acid

14. Ethylphenidate Acid

15. Methylphenidate Acid

16. Alpha-phenyl-2-piperidineacetic Acid, Threo, (+/-)

17. 2-piperidineacetic Acid, Alpha-phenyl-, (alphar,2r)-

18. Schembl6099068

19. Zinc5934432

20. (2r)-2-phenyl-2-[(r)-2-piperidinyl]acetic Acid

21. Methylphenidate Related Compound A [usp Impurity]

22. .alpha.-phenyl-2-piperidineacetic Acid, Threo-(+/-)-

23. Methylphenidate Hydrochloride Impurity A [ep Impurity]

24. 2-piperidineacetic Acid, .alpha.-phenyl-, (.alpha.r,2r)-

25. 2-piperidineacetic Acid, .alpha.-phenyl-, (.alpha.r,2r)-rel-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇NO₂
Molecular Weight	219.28 g/mol
XLogP3	-2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	219.125928785 g/mol
Monoisotopic Mass	219.125928785 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1